| SpectraBase Spectrum ID |
1T5J1kImFSh |
| Name |
17,20-Epoxy-17-zeta-H-pregna-4,20-diene-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13-21(23-13)11-8-18-16-5-4-14-12-15(22)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18H,1,4-11H2,2-3H3/t16?,17?,18?,19-,20-,21+/m0/s1 |
| InChIKey |
CVOJTXOPINFODS-WZSRHMHXSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C1(=O)CC[C@]2(C(=C1)CCC1C2CC[C@@]2(C)C1CC[C@]21OC1=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855283 |
